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Propanoic acid,2-propen-1-yl ester

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Propanoic acid,2-propen-1-yl ester

EINECS 219-307-8
CAS No. 2408-20-0 Density 0.904 g/cm3
PSA 26.30000 LogP 1.12560
Solubility 3.649g/L at 25℃ Melting Point 37.22°C (estimate)
Formula C6H10O2 Boiling Point 122.4 °C at 760 mmHg
Molecular Weight 114.144 Flash Point 33.5 °C
Transport Information UN 3272 3/PG 3 Appearance N/A
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 2408-20-0 (ALLYL PROPIONATE) Hazard Symbols IrritantXi
Synonyms

Propanoicacid, 2-propenyl ester (9CI);Propionic acid, allyl ester (6CI,7CI,8CI);2-Propenyl propanoate;Allyl propanoate;Allyl propionate;NSC 7620;

Article Data 16

Propanoic acid,2-propen-1-yl ester Specification

The CAS registry number of Propanoic acid,2-propen-1-yl ester is 2408-20-0. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances. This chemical is also named as Propanoic acid, 2-propenyl ester. Its EINECS registry number is 219-307-8. In addition, its molecular formula is C6H10O2 and molecular weight is 114.14. Its IUPAC name is called prop-2-enyl propanoate.

Physical properties about Propanoic acid,2-propen-1-yl ester are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.5; (6)ACD/BCF (pH 7.4): 8.5; (7)ACD/KOC (pH 5.5): 160.98; (8)ACD/KOC (pH 7.4): 160.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.411; (13)Molar Refractivity: 31.34 cm3; (14)Molar Volume: 126.1 cm3; (15)Surface Tension: 25.9 dyne/cm; (16)Density: 0.904 g/cm3; (17)Flash Point: 33.5 °C; (18)Enthalpy of Vaporization: 36.05 kJ/mol; (19)Boiling Point: 122.4 °C at 760 mmHg; (20)Vapour Pressure: 13.9 mmHg at 25°C.

Preparation: this chemical can be prepared by propionyl chloride and prop-2-en-1-ol. This reaction will need reagent 30percent aqueous sodium (or potassium) hydroxide and catalyst tetrabutylammonium chloride. The reaction time is 7.5 mins with reaction temperature of 0 °C. The yield is about 69 %.

Propanoic acid,2-propen-1-yl ester can be prepared by propionyl chloride and prop-2-en-1-ol

Uses of Propanoic acid,2-propen-1-yl ester: it can be used to produce 2-methyl-3-oxo-succinic acid diallyl ester at ambient temperature. It will need reagent sodium allyloxide and solvent tetrahydrofuran.

Propanoic acid,2-propen-1-yl ester can be used to produce 2-methyl-3-oxo-succinic acid diallyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is flammable. What's more, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)CC
(2)InChI: InChI=1/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
(3)InChIKey: XRFWKHVQMACVTA-UHFFFAOYAU

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